| Identification | More | [Name]
2,6-Difluorobenzoic acid | [CAS]
385-00-2 | [Synonyms]
2,6-DIFLUOROBENZOIC ACID
AKOS BBS-00003807
RARECHEM AL BO 0020
Benzoic acid, 2,6-difluoro-
Difluorobenzoicacid
2,6-difluorobonzoic acid
2,6-Difluorobenzoic
2,6-Difluorobenzoic acid 98%
2,6-Difluorobenzoicacid98%
2,6-Difuorobenzoic acid | [EINECS(EC#)]
206-856-3 | [Molecular Formula]
C7H4F2O2 | [MDL Number]
MFCD00002411 | [Molecular Weight]
158.1 | [MOL File]
385-00-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [Melting point ]
157-161 °C (lit.) | [Boiling point ]
72-77°C 13mm | [density ]
1.3486 (estimate) | [Fp ]
72-77°C/13mm | [storage temp. ]
0-6°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
2.34±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [Water Solubility ]
soluble | [BRN ]
973774 | [InChI]
1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) | [InChIKey]
ONOTYLMNTZNAQZ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1c(F)cccc1F | [CAS DataBase Reference]
385-00-2(CAS DataBase Reference) | [NIST Chemistry Reference]
2,6-Difluorobenzoic acid(385-00-2) | [EPA Substance Registry System]
385-00-2(EPA Substance) |
| Questions And Answer | Back Directory | [Preparation]
The synthesis process of 2,6-difluorobenzoic acid (DFBA) involves using 2,6-dichlorobenzonitrile (DCBN) and potassium fluoride as raw materials, and N,N-dimethylamide (DMF) as solvent. The intermediate 2,6-difluorobenzonitrile is synthesized by fluorination under the catalysis of polyether catalyst A. The intermediate is then hydrolyzed under alkaline conditions to obtain 2,6-difluorobenzoic acid. Experimental results show that the optimal reaction conditions are: a mass concentration of 2,6-dichlorobenzonitrile in N,N-dimethylamide of 0-38 g/mL, a potassium fluoride concentration 2.3-2.4 times that of 2,6-dichlorobenzonitrile, a reaction time of 10 h, and a maximum yield of 93.5%. In the synthesis of 2,6-difluorobenzoic acid, using 20% NaOH as the medium and a reaction time of 9 h, the yield is ≥92%. This process offers high yield, low waste emissions, and cost savings, making it a promising candidate for industrial application. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DG8559000
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystal powder | [Uses]
2,6-Difluorobenzoic acid has been used in the synthesis of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide and methyl 2,6-difluorobenzoate. | [General Description]
2,6-Difluorobenzoic acid is the major degradation product of diflubenzuron. | [Toxics Screening Level]
Due to a lack of available toxicity information the ITSL is being set at the default value of 0.1 μg/m3 with annual averaging, based on R232(1)(i). |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|